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Database: PDB
Entry: 6AMB
LinkDB: 6AMB
Original site: 6AMB 
HEADER    SIGNALING PROTEIN                       09-AUG-17   6AMB              
TITLE     CRYSTAL STRUCTURE OF THE AFADIN RA1 DOMAIN IN COMPLEX WITH HRAS       
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: GTPASE HRAS;                                               
COMPND   3 CHAIN: A;                                                            
COMPND   4 SYNONYM: H-RAS-1, HA-RAS, TRANSFORMING PROTEIN P21, C-H-RAS, P21RAS; 
COMPND   5 ENGINEERED: YES;                                                     
COMPND   6 MOL_ID: 2;                                                           
COMPND   7 MOLECULE: AFADIN;                                                    
COMPND   8 CHAIN: B;                                                            
COMPND   9 SYNONYM: AFADIN ADHERENS JUNCTION FORMATION FACTOR, PROTEIN AF-6;    
COMPND  10 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
SOURCE   4 ORGANISM_TAXID: 9606;                                                
SOURCE   5 GENE: HRAS, HRAS1;                                                   
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21;                            
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 511693;                                     
SOURCE   8 MOL_ID: 2;                                                           
SOURCE   9 ORGANISM_SCIENTIFIC: MUS MUSCULUS;                                   
SOURCE  10 ORGANISM_COMMON: MOUSE;                                              
SOURCE  11 ORGANISM_TAXID: 10090;                                               
SOURCE  12 GENE: AFDN, AF6, MLLT4;                                              
SOURCE  13 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21;                            
SOURCE  14 EXPRESSION_SYSTEM_TAXID: 511693                                      
KEYWDS    GTPASE, ADHESION, RA DOMAIN, RBD DOMAIN, SIGNALING PROTEIN            
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    M.J.SMITH,N.ISHIYAMA,M.IKURA                                          
REVDAT   2   08-NOV-17 6AMB    1       JRNL                                     
REVDAT   1   01-NOV-17 6AMB    0                                                
JRNL        AUTH   M.J.SMITH,E.OTTONI,N.ISHIYAMA,M.GOUDREAULT,A.HAMAN,C.MEYER,  
JRNL        AUTH 2 M.TUCHOLSKA,G.GASMI-SEABROOK,S.MENEZES,R.C.LAISTER,          
JRNL        AUTH 3 M.D.MINDEN,R.MARSCHALEK,A.C.GINGRAS,T.HOANG,M.IKURA          
JRNL        TITL   EVOLUTION OF AF6-RAS ASSOCIATION AND ITS IMPLICATIONS IN     
JRNL        TITL 2 MIXED-LINEAGE LEUKEMIA.                                      
JRNL        REF    NAT COMMUN                    V.   8  1099 2017              
JRNL        REFN                   ESSN 2041-1723                               
JRNL        PMID   29062045                                                     
JRNL        DOI    10.1038/S41467-017-01326-5                                   
REMARK   2                                                                      
REMARK   2 RESOLUTION.    2.50 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : PHENIX 1.10.1_2155                                   
REMARK   3   AUTHORS     : PAUL ADAMS,PAVEL AFONINE,VINCENT CHEN,IAN            
REMARK   3               : DAVIS,KRESHNA GOPAL,RALF GROSSE-KUNSTLEVE,           
REMARK   3               : LI-WEI HUNG,ROBERT IMMORMINO,TOM IOERGER,            
REMARK   3               : AIRLIE MCCOY,ERIK MCKEE,NIGEL MORIARTY,              
REMARK   3               : REETAL PAI,RANDY READ,JANE RICHARDSON,               
REMARK   3               : DAVID RICHARDSON,TOD ROMO,JIM SACCHETTINI,           
REMARK   3               : NICHOLAS SAUTER,JACOB SMITH,LAURENT                  
REMARK   3               : STORONI,TOM TERWILLIGER,PETER ZWART                  
REMARK   3                                                                      
REMARK   3    REFINEMENT TARGET : NULL                                          
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 2.50                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 40.30                          
REMARK   3   MIN(FOBS/SIGMA_FOBS)              : 0.000                          
REMARK   3   COMPLETENESS FOR RANGE        (%) : 97.4                           
REMARK   3   NUMBER OF REFLECTIONS             : 7226                           
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   R VALUE     (WORKING + TEST SET) : 0.223                           
REMARK   3   R VALUE            (WORKING SET) : 0.218                           
REMARK   3   FREE R VALUE                     : 0.266                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 10.030                          
REMARK   3   FREE R VALUE TEST SET COUNT      : 725                             
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT (IN BINS).                           
REMARK   3   BIN  RESOLUTION RANGE  COMPL.    NWORK NFREE   RWORK  RFREE        
REMARK   3     1 40.3059 -  4.2721    1.00     1412   157  0.2070 0.2247        
REMARK   3     2  4.2721 -  3.3914    1.00     1327   147  0.2095 0.2606        
REMARK   3     3  3.3914 -  2.9629    0.99     1307   145  0.2323 0.2697        
REMARK   3     4  2.9629 -  2.6920    0.96     1255   142  0.2574 0.4071        
REMARK   3     5  2.6920 -  2.4991    0.93     1200   134  0.2383 0.3338        
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELLING.                                             
REMARK   3   METHOD USED        : NULL                                          
REMARK   3   SOLVENT RADIUS     : 1.11                                          
REMARK   3   SHRINKAGE RADIUS   : 0.90                                          
REMARK   3   K_SOL              : NULL                                          
REMARK   3   B_SOL              : NULL                                          
REMARK   3                                                                      
REMARK   3  ERROR ESTIMATES.                                                    
REMARK   3   COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED)     : 0.310            
REMARK   3   PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 28.510           
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : NULL                           
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 54.28                          
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : NULL                                                 
REMARK   3    B22 (A**2) : NULL                                                 
REMARK   3    B33 (A**2) : NULL                                                 
REMARK   3    B12 (A**2) : NULL                                                 
REMARK   3    B13 (A**2) : NULL                                                 
REMARK   3    B23 (A**2) : NULL                                                 
REMARK   3                                                                      
REMARK   3  TWINNING INFORMATION.                                               
REMARK   3   FRACTION: NULL                                                     
REMARK   3   OPERATOR: NULL                                                     
REMARK   3                                                                      
REMARK   3  DEVIATIONS FROM IDEAL VALUES.                                       
REMARK   3                 RMSD          COUNT                                  
REMARK   3   BOND      :  0.002           2037                                  
REMARK   3   ANGLE     :  0.522           2758                                  
REMARK   3   CHIRALITY :  0.041            311                                  
REMARK   3   PLANARITY :  0.003            351                                  
REMARK   3   DIHEDRAL  : 17.441           1223                                  
REMARK   3                                                                      
REMARK   3  TLS DETAILS                                                         
REMARK   3   NUMBER OF TLS GROUPS  : NULL                                       
REMARK   3                                                                      
REMARK   3  NCS DETAILS                                                         
REMARK   3   NUMBER OF NCS GROUPS : NULL                                        
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 6AMB COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 11-AUG-17.                  
REMARK 100 THE DEPOSITION ID IS D_1000229382.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 28-JUN-13                          
REMARK 200  TEMPERATURE           (KELVIN) : 100                                
REMARK 200  PH                             : 8.9                                
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : APS                                
REMARK 200  BEAMLINE                       : 19-ID                              
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 0.97929                            
REMARK 200  MONOCHROMATOR                  : NULL                               
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : CCD                                
REMARK 200  DETECTOR MANUFACTURER          : ADSC QUANTUM 315                   
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : HKL-2000                           
REMARK 200  DATA SCALING SOFTWARE          : HKL-2000                           
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 7437                               
REMARK 200  RESOLUTION RANGE HIGH      (A) : 2.500                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 50.000                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : NULL                               
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 99.9                               
REMARK 200  DATA REDUNDANCY                : 6.900                              
REMARK 200  R MERGE                    (I) : 0.09700                            
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 8.6000                             
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.50                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 2.54                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 100.0                              
REMARK 200  DATA REDUNDANCY IN SHELL       : 6.20                               
REMARK 200  R MERGE FOR SHELL          (I) : 0.55700                            
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : NULL                               
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT        
REMARK 200 SOFTWARE USED: PHASER                                                
REMARK 200 STARTING MODEL: PDB ENTRY 3DDC                                       
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 24.76                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 1.63                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: PEG3350, K2HPO4, PH 8.9, VAPOR           
REMARK 280  DIFFUSION, TEMPERATURE 297K                                         
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21                       
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -X+1/2,-Y,Z+1/2                                         
REMARK 290       3555   -X,Y+1/2,-Z+1/2                                         
REMARK 290       4555   X+1/2,-Y+1/2,-Z                                         
REMARK 290                                                                      
REMARK 290     WHERE NNN -> OPERATOR NUMBER                                     
REMARK 290           MMM -> TRANSLATION VECTOR                                  
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS                            
REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM             
REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY                
REMARK 290 RELATED MOLECULES.                                                   
REMARK 290   SMTRY1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   2 -1.000000  0.000000  0.000000       24.11950            
REMARK 290   SMTRY2   2  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   2  0.000000  0.000000  1.000000       36.66450            
REMARK 290   SMTRY1   3 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   3  0.000000  1.000000  0.000000       28.57600            
REMARK 290   SMTRY3   3  0.000000  0.000000 -1.000000       36.66450            
REMARK 290   SMTRY1   4  1.000000  0.000000  0.000000       24.11950            
REMARK 290   SMTRY2   4  0.000000 -1.000000  0.000000       28.57600            
REMARK 290   SMTRY3   4  0.000000  0.000000 -1.000000        0.00000            
REMARK 290                                                                      
REMARK 290 REMARK: NULL                                                         
REMARK 300                                                                      
REMARK 300 BIOMOLECULE: 1                                                       
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM                
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN                  
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON               
REMARK 300 BURIED SURFACE AREA.                                                 
REMARK 350                                                                      
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN           
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE                
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS          
REMARK 350 GIVEN BELOW.  BOTH NON-CRYSTALLOGRAPHIC AND                          
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.                               
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 1                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC                           
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC                    
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 TOTAL BURIED SURFACE AREA: 1750 ANGSTROM**2                          
REMARK 350 SURFACE AREA OF THE COMPLEX: 12970 ANGSTROM**2                       
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -14.0 KCAL/MOL                        
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B                                  
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 465                                                                      
REMARK 465 MISSING RESIDUES                                                     
REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE                       
REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.)                
REMARK 465                                                                      
REMARK 465   M RES C SSSEQI                                                     
REMARK 465     ASP B    49                                                      
REMARK 465     LYS B    50                                                      
REMARK 465     ALA B    51                                                      
REMARK 465     ALA B    52                                                      
REMARK 465     GLY B    53                                                      
REMARK 465     ASN B    54                                                      
REMARK 465     PHE B    55                                                      
REMARK 465     ARG B    84                                                      
REMARK 465     MET B    85                                                      
REMARK 465     LEU B    86                                                      
REMARK 465     SER B    87                                                      
REMARK 465     SER B    88                                                      
REMARK 465     PRO B    89                                                      
REMARK 465     ASN B   118                                                      
REMARK 465     LYS B   119                                                      
REMARK 465     ASP B   120                                                      
REMARK 465     ASP B   133                                                      
REMARK 465     ALA B   134                                                      
REMARK 465     ILE B   135                                                      
REMARK 465     PRO B   136                                                      
REMARK 470                                                                      
REMARK 470 MISSING ATOM                                                         
REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER;           
REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER;          
REMARK 470 I=INSERTION CODE):                                                   
REMARK 470   M RES CSSEQI  ATOMS                                                
REMARK 470     GLU A  63    CG   CD   OE1  OE2                                  
REMARK 470     GLN B  48    CG   CD   OE1  NE2                                  
REMARK 470     LYS B  78    CG   CD   CE   NZ                                   
REMARK 470     PHE B  79    CG   CD1  CD2  CE1  CE2  CZ                         
REMARK 470     ARG B  80    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     MET B  83    CG   SD   CE                                        
REMARK 470     LYS B  90    CG   CD   CE   NZ                                   
REMARK 470     ASP B 121    CG   OD1  OD2                                       
REMARK 470     ARG B 122    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     ASN B 130    CG   OD1  ND2                                       
REMARK 470     GLU B 131    CG   CD   OE1  OE2                                  
REMARK 470     ASN B 132    CG   OD1  ND2                                       
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: TORSION ANGLES                                             
REMARK 500                                                                      
REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:            
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)                    
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-           
REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400            
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        PSI       PHI                                   
REMARK 500    ILE A  36      -70.45   -102.29                                   
REMARK 500    SER A  65       72.92   -118.16                                   
REMARK 500    ASP A 108       75.53   -105.79                                   
REMARK 500    GLU B 123       49.02    -84.11                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 620                                                                      
REMARK 620 METAL COORDINATION                                                   
REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE):                             
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              MG A 202  MG                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 SER A  17   OG                                                     
REMARK 620 2 THR A  35   OG1  70.6                                              
REMARK 620 3 GNP A 201   O3G 123.8  81.4                                        
REMARK 620 4 GNP A 201   O2B  76.9 126.8  83.2                                  
REMARK 620 5 HOH A 302   O    57.5  64.1  66.6  62.9                            
REMARK 620 N                    1     2     3     4                             
REMARK 800                                                                      
REMARK 800 SITE                                                                 
REMARK 800 SITE_IDENTIFIER: AC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue GNP A 201                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue MG A 202                  
DBREF  6AMB A    1   168  UNP    P01112   RASH_HUMAN       1    168             
DBREF  6AMB B   38   136  UNP    Q9QZQ1   AFAD_MOUSE      38    136             
SEQADV 6AMB HIS A   -1  UNP  P01112              EXPRESSION TAG                 
SEQADV 6AMB MET A    0  UNP  P01112              EXPRESSION TAG                 
SEQRES   1 A  170  HIS MET MET THR GLU TYR LYS LEU VAL VAL VAL GLY ALA          
SEQRES   2 A  170  GLY GLY VAL GLY LYS SER ALA LEU THR ILE GLN LEU ILE          
SEQRES   3 A  170  GLN ASN HIS PHE VAL ASP GLU TYR ASP PRO THR ILE GLU          
SEQRES   4 A  170  ASP SER TYR ARG LYS GLN VAL VAL ILE ASP GLY GLU THR          
SEQRES   5 A  170  CYS LEU LEU ASP ILE LEU ASP THR ALA GLY GLN GLU GLU          
SEQRES   6 A  170  TYR SER ALA MET ARG ASP GLN TYR MET ARG THR GLY GLU          
SEQRES   7 A  170  GLY PHE LEU CYS VAL PHE ALA ILE ASN ASN THR LYS SER          
SEQRES   8 A  170  PHE GLU ASP ILE HIS GLN TYR ARG GLU GLN ILE LYS ARG          
SEQRES   9 A  170  VAL LYS ASP SER ASP ASP VAL PRO MET VAL LEU VAL GLY          
SEQRES  10 A  170  ASN LYS CYS ASP LEU ALA ALA ARG THR VAL GLU SER ARG          
SEQRES  11 A  170  GLN ALA GLN ASP LEU ALA ARG SER TYR GLY ILE PRO TYR          
SEQRES  12 A  170  ILE GLU THR SER ALA LYS THR ARG GLN GLY VAL GLU ASP          
SEQRES  13 A  170  ALA PHE TYR THR LEU VAL ARG GLU ILE ARG GLN HIS LYS          
SEQRES  14 A  170  LEU                                                          
SEQRES   1 B   99  GLU PHE HIS GLY VAL MET ARG PHE TYR PHE GLN ASP LYS          
SEQRES   2 B   99  ALA ALA GLY ASN PHE ALA THR LYS CYS ILE ARG VAL SER          
SEQRES   3 B   99  SER THR ALA THR THR GLN ASP VAL ILE GLU THR LEU ALA          
SEQRES   4 B   99  GLU LYS PHE ARG PRO ASP MET ARG MET LEU SER SER PRO          
SEQRES   5 B   99  LYS TYR SER LEU TYR GLU VAL HIS VAL SER GLY GLU ARG          
SEQRES   6 B   99  ARG LEU ASP ILE ASP GLU LYS PRO LEU VAL VAL GLN LEU          
SEQRES   7 B   99  ASN TRP ASN LYS ASP ASP ARG GLU GLY ARG PHE VAL LEU          
SEQRES   8 B   99  LYS ASN GLU ASN ASP ALA ILE PRO                              
HET    GNP  A 201      32                                                       
HET     MG  A 202       1                                                       
HETNAM     GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER                      
HETNAM      MG MAGNESIUM ION                                                    
FORMUL   3  GNP    C10 H17 N6 O13 P3                                            
FORMUL   4   MG    MG 2+                                                        
FORMUL   5  HOH   *10(H2 O)                                                     
HELIX    1 AA1 GLY A   15  ASN A   26  1                                  12    
HELIX    2 AA2 GLN A   61  SER A   65  5                                   5    
HELIX    3 AA3 MET A   67  GLY A   75  1                                   9    
HELIX    4 AA4 ASN A   86  ASP A  105  1                                  20    
HELIX    5 AA5 GLU A  126  GLY A  138  1                                  13    
HELIX    6 AA6 GLY A  151  GLN A  165  1                                  15    
HELIX    7 AA7 THR B   67  ARG B   80  1                                  14    
HELIX    8 AA8 LYS B  109  LEU B  115  1                                   7    
SHEET    1 AA111 TYR A 141  GLU A 143  0                                        
SHEET    2 AA111 MET A 111  ASN A 116  1  N  LEU A 113   O  ILE A 142           
SHEET    3 AA111 GLY A  77  ALA A  83  1  N  PHE A  82   O  ASN A 116           
SHEET    4 AA111 THR A   2  GLY A  10  1  N  VAL A   9   O  LEU A  79           
SHEET    5 AA111 THR A  50  THR A  58  1  O  LEU A  52   N  THR A   2           
SHEET    6 AA111 GLU A  37  VAL A  45 -1  N  VAL A  44   O  CYS A  51           
SHEET    7 AA111 THR B  57  SER B  63 -1  O  THR B  57   N  SER A  39           
SHEET    8 AA111 HIS B  40  TYR B  46 -1  N  GLY B  41   O  VAL B  62           
SHEET    9 AA111 ARG B 125  ASN B 130  1  O  LEU B 128   N  TYR B  46           
SHEET   10 AA111 TYR B  91  HIS B  97 -1  N  TYR B  94   O  VAL B 127           
SHEET   11 AA111 GLY B 100  ARG B 103 -1  O  GLY B 100   N  HIS B  97           
LINK         OG  SER A  17                MG    MG A 202     1555   1555  2.26  
LINK         OG1 THR A  35                MG    MG A 202     1555   1555  2.24  
LINK         O3G GNP A 201                MG    MG A 202     1555   1555  2.11  
LINK         O2B GNP A 201                MG    MG A 202     1555   1555  2.12  
LINK        MG    MG A 202                 O   HOH A 302     1555   1555  2.42  
SITE     1 AC1 25 ALA A  11  GLY A  12  GLY A  13  VAL A  14                    
SITE     2 AC1 25 GLY A  15  LYS A  16  SER A  17  ALA A  18                    
SITE     3 AC1 25 PHE A  28  VAL A  29  ASP A  30  TYR A  32                    
SITE     4 AC1 25 PRO A  34  THR A  35  GLY A  60  GLN A  61                    
SITE     5 AC1 25 ASN A 116  LYS A 117  ASP A 119  SER A 145                    
SITE     6 AC1 25 ALA A 146  LYS A 147   MG A 202  HOH A 302                    
SITE     7 AC1 25 HOH A 306                                                     
SITE     1 AC2  5 SER A  17  ASP A  33  THR A  35  GNP A 201                    
SITE     2 AC2  5 HOH A 302                                                     
CRYST1   48.239   57.152   73.329  90.00  90.00  90.00 P 21 21 21    4          
ORIGX1      1.000000  0.000000  0.000000        0.00000                         
ORIGX2      0.000000  1.000000  0.000000        0.00000                         
ORIGX3      0.000000  0.000000  1.000000        0.00000                         
SCALE1      0.020730  0.000000  0.000000        0.00000                         
SCALE2      0.000000  0.017497  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.013637        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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